(R)-(1-cyclopropylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanol

C29H33F2N7O — CID 146603900

IUPAC(R)-(1-cyclopropylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanol
SMILESCc1nc2c(F)cc(-c3nc(Nc4ccc([C@H](O)C5CCN(C6CC6)CC5)cn4)ncc3F)cc2n1C(C)C
InChIInChI=1S/C29H33F2N7O/c1-16(2)38-17(3)34-27-22(30)12-20(13-24(27)38)26-23(31)15-33-29(36-26)35-25-7-4-19(14-32-25)28(39)18-8-10-37(11-9-18)21-5-6-21/h4,7,12-16,18,21,28,39H,5-6,8-11H2,1-3H3,(H,32,33,35,36)/t28-/m1/s1
InChIKeyQDHRFQCHBMCQQC-MUUNZHRXSA-N
MW533.63 g/mol
LogP5.71
Rot. Bonds7

About (R)-(1-cyclopropylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanol

(R)-(1-cyclopropylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanol (PubChem CID 146603900) has the molecular formula C29H33F2N7O and a molecular weight of 533.63 g/mol. Its IUPAC name is (R)-(1-cyclopropylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanol.

Molecular Properties

Compound Name(R)-(1-cyclopropylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanol
PubChem CID146603900
Molecular FormulaC29H33F2N7O
Molecular Weight533.63 g/mol
Exact Mass533.27
IUPAC Name(R)-(1-cyclopropylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanol
SMILESCc1nc2c(F)cc(-c3nc(Nc4ccc([C@H](O)C5CCN(C6CC6)CC5)cn4)ncc3F)cc2n1C(C)C
InChIInChI=1S/C29H33F2N7O/c1-16(2)38-17(3)34-27-22(30)12-20(13-24(27)38)26-23(31)15-33-29(36-26)35-25-7-4-19(14-32-25)28(39)18-8-10-37(11-9-18)21-5-6-21/h4,7,12-16,18,21,28,39H,5-6,8-11H2,1-3H3,(H,32,33,35,36)/t28-/m1/s1
InChIKeyQDHRFQCHBMCQQC-MUUNZHRXSA-N
XLogP5.71
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.63
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (R)-(1-cyclopropylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (R)-(1-cyclopropylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanol?
The IUPAC name of (R)-(1-cyclopropylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanol (CID 146603900) is (R)-(1-cyclopropylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanol.
What is the SMILES notation for (R)-(1-cyclopropylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanol?
The canonical SMILES for (R)-(1-cyclopropylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanol is Cc1nc2c(F)cc(-c3nc(Nc4ccc([C@H](O)C5CCN(C6CC6)CC5)cn4)ncc3F)cc2n1C(C)C.
What is the InChIKey of (R)-(1-cyclopropylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanol?
The InChIKey is QDHRFQCHBMCQQC-MUUNZHRXSA-N. The full InChI is InChI=1S/C29H33F2N7O/c1-16(2)38-17(3)34-27-22(30)12-20(13-24(27)38)26-23(31)15-33-29(36-26)35-25-7-4-19(14-32-25)28(39)18-8-10-37(11-9-18)21-5-6-21/h4,7,12-16,18,21,28,39H,5-6,8-11H2,1-3H3,(H,32,33,35,36)/t28-/m1/s1.
What are the key properties of (R)-(1-cyclopropylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanol?
(R)-(1-cyclopropylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanol has a molecular weight of 533.63 g/mol, XLogP of 5.71, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(1-cyclopropylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanol is sourced from PubChem (CID 146603900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).